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CAS 1289384-88-8 4-(2-Methyl-benzyloxyMethyl)-piperidine hydrochloride molecular structure lightbox
CAS RN: 1289384-88-8

4-(2-Methyl-benzyloxyMethyl)-piperidine hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1289384-88-8
  • Purity/Analytical Methods: >99.0%
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1289384-88-8 / 4-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride

Standard CAS: 1289384-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1289384-88-8
Multi CAS
No
Molecular Formula
C14H22ClNO
Molecular Weight
255.780000
Exact Mass
255.138992
SMILES
CC1=CC=CC=C1COCC2CCNCC2.Cl
InChI
InChI=1S/C14H21NO.ClH/c1-12-4-2-3-5-14(12)11-16-10-13-6-8-15-9-7-13;/h2-5,13,15H,6-11H2,1H3;1H
InChIKey
CPBRBYLKVKIXRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.68
TPSA
21.26

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
2.93
Consensus LogP
2.82
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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